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Compound Detail

CHEMBL4218669

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Cn1c(=O)c2c(ncn2CCCC(=O)N/N=C/c2ccc(O)cc2O)n(C)c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4218669
Phase Preclinical
Structure Type MOL
InChI Key JIUKADOINSQWMP-AWQFTUOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

400.4
MW (Da)
-0.22
ALogP
10
HBA
3
HBD
143.7
PSA (Ų)
0.39
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H20N6O5
MW 400.40
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.27

Literature References

PubMed DOI Target Context # Activities
29407965 10.1016/j.ejmech.2018.01.068 3',5'-cyclic-AMP phosphodiesterase 4B 1
29407965 10.1016/j.ejmech.2018.01.068 High affinity 3',5'-cyclic-AMP phosphodiesterase 7A 1

Data from ChEMBL 36 via Core Engine